3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine

C12H27NO2S — CID 104578137

IUPAC3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine
SMILESCCCS(=O)(=O)CCNC(C)C(CC)CC
InChIInChI=1S/C12H27NO2S/c1-5-9-16(14,15)10-8-13-11(4)12(6-2)7-3/h11-13H,5-10H2,1-4H3
InChIKeyXCGRULRDRQHQRN-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.23
Rot. Bonds9

About 3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine

3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine (PubChem CID 104578137) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine
PubChem CID104578137
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine
SMILESCCCS(=O)(=O)CCNC(C)C(CC)CC
InChIInChI=1S/C12H27NO2S/c1-5-9-16(14,15)10-8-13-11(4)12(6-2)7-3/h11-13H,5-10H2,1-4H3
InChIKeyXCGRULRDRQHQRN-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 104578148
4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 103830241
1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818
3-(2-propylsulfonylethylamino)butan-1-ol
CID 106724270
3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
CID 106723970
1-propylsulfonylpropane
CID 11709
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine
CID 107445666
(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
CID 106724080
(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine
CID 102978164
3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol
CID 106724525
1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723805

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine?
The IUPAC name of 3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine (CID 104578137) is 3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine?
The canonical SMILES for 3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine is CCCS(=O)(=O)CCNC(C)C(CC)CC.
What is the InChIKey of 3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine?
The InChIKey is XCGRULRDRQHQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-5-9-16(14,15)10-8-13-11(4)12(6-2)7-3/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine?
3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine is sourced from PubChem (CID 104578137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).